BioLiP

PDB

BioLiP

PDB CCD ID:

VNY

Number of entries in BioLiP:

Chemical formula:

C21 H24 O5

InChI:

InChI=1S/C21H24O5/c1-13(11-17-19(23)21(25)20(24)18(12-22)26-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,17-25H,12H2,1H3/b13-11+/t17-,18-,19-,20-,21-/m1/s1

InChIKey:

CZOUTUOSDBYBBC-OBPXZMPXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C\C(=C/[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2ccc(cc2)c3ccccc3
OpenEye OEToolkits 1.7.6	C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3
CACTVS 3.385	CC(=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3
OpenEye OEToolkits 1.7.6	CC(=CC1C(C(C(C(O1)CO)O)O)O)c2ccc(cc2)c3ccccc3

Name:

PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE

ZINC:

ZINC000584905731

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).